6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one

C11H12N2O — CID 82468625

IUPAC6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C3CN3)ccc2N1
InChIInChI=1S/C11H12N2O/c14-11-4-2-7-5-8(10-6-12-10)1-3-9(7)13-11/h1,3,5,10,12H,2,4,6H2,(H,13,14)
InChIKeyNWPKKUQOVFRZBB-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.22
Rot. Bonds1

About 6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one

6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82468625) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID82468625
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C3CN3)ccc2N1
InChIInChI=1S/C11H12N2O/c14-11-4-2-7-5-8(10-6-12-10)1-3-9(7)13-11/h1,3,5,10,12H,2,4,6H2,(H,13,14)
InChIKeyNWPKKUQOVFRZBB-UHFFFAOYSA-N
XLogP1.22
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

6-(5-methylpiperidin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 164753190
6-(1,2,3,4-tetrahydroquinolin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 164550089
6-[(2R)-oxiran-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95436529
6-(1,3-oxazolidin-5-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82472049
6-morpholin-2-yl-3,4-dihydro-1H-quinolin-2-one
CID 82289623
5-(aziridin-2-yl)-2,3-dihydro-1H-indole
CID 88562655
6-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82294809
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
(2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid
CID 59763201
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-(1-methyl-3,4-dihydro-2H-quinolin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 170310883
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052

Frequently Asked Questions

What is the IUPAC name of 6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one (CID 82468625) is 6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C3CN3)ccc2N1.
What is the InChIKey of 6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NWPKKUQOVFRZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-11-4-2-7-5-8(10-6-12-10)1-3-9(7)13-11/h1,3,5,10,12H,2,4,6H2,(H,13,14).
What are the key properties of 6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one?
6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82468625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).